N1,N3-bis(4-methylphenyl)isoindol-2-ium-1,3-diimine chloride

Systemtic Name: N1,N3-bis(4-methylphenyl)isoindol-2-ium-1,3-diimine chloride Openeye Name: N1,N3-bis(p-tolyl)isoindolin-2-ium-1,3-diimine chloride CAS Name: N1,N3-bis(4-methylphenyl)isoindol-2-ium-1,3-diimine chloride IUPAC Name: 1-N,3-N-bis(4-methylphenyl)isoindol-2-ium-1,3-diimine chloride Traditional Name: p-tolyl-[3-(p-tolylimino)isoindolin-2-ium-1-ylidene]amine chloride Formula: C22H20ClN3 MolecularWeight: 361.8673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)[NH2+]2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)[NH2+]2.[Cl-]

InChI

InChI=1S/C22H19N3.ClH/c1-15-7-11-17(12-8-15)23-21-19-5-3-4-6-20(19)22(25-21)24-18-13-9-16(2)10-14-18;/h3-14H,1-2H3,(H,23,24,25);1H